2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid

C16H25N3O2 — CID 83044088

IUPAC2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCCCC1CCCCN1c1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C16H25N3O2/c1-4-7-12-8-5-6-9-19(12)13-10-17-15(11(2)3)18-14(13)16(20)21/h10-12H,4-9H2,1-3H3,(H,20,21)
InChIKeySRQHRCJVNXAILM-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.46
Rot. Bonds5

About 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid

2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid (PubChem CID 83044088) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid
PubChem CID83044088
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCCCC1CCCCN1c1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C16H25N3O2/c1-4-7-12-8-5-6-9-19(12)13-10-17-15(11(2)3)18-14(13)16(20)21/h10-12H,4-9H2,1-3H3,(H,20,21)
InChIKeySRQHRCJVNXAILM-UHFFFAOYSA-N
XLogP3.46
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine
CID 83062508
2-propan-2-yl-5-(4-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 62204554
5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 79180616
5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086332
5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087226
5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63539546
2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 138030149
5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63620885
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 79929639
5-methyl-6-(2-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 83055806
5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine
CID 104844386
3-amino-2-(2-propylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 83061885

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid (CID 83044088) is 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid is CCCC1CCCCN1c1cnc(C(C)C)nc1C(=O)O.
What is the InChIKey of 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The InChIKey is SRQHRCJVNXAILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-7-12-8-5-6-9-19(12)13-10-17-15(11(2)3)18-14(13)16(20)21/h10-12H,4-9H2,1-3H3,(H,20,21).
What are the key properties of 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83044088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).